N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide

C11H17N3O2 — CID 71876997

IUPACN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide
SMILESCC(C)c1noc(CCNC(=O)C2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-7(2)10-13-9(16-14-10)5-6-12-11(15)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyJJJKVBKIHRLESK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.26
Rot. Bonds5

About N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide

N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide (PubChem CID 71876997) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide
PubChem CID71876997
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide
SMILESCC(C)c1noc(CCNC(=O)C2CC2)n1
InChIInChI=1S/C11H17N3O2/c1-7(2)10-13-9(16-14-10)5-6-12-11(15)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyJJJKVBKIHRLESK-UHFFFAOYSA-N
XLogP1.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide (CID 71876997) is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide is CC(C)c1noc(CCNC(=O)C2CC2)n1.
What is the InChIKey of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is JJJKVBKIHRLESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)10-13-9(16-14-10)5-6-12-11(15)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide?
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71876997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).